Trifluoroacetic acid → HCID 44546612, compound

HRID 1665525Notes

Reaction equation

HRID 1665525 reaction equation
[CH:1]12[O:8][CH:5]([CH2:6][CH2:7]1)[CH2:4][N:3]([C:9]1[N:14]=[C:13]([N:15]3[CH2:20][CH2:19][C:18](=O)[CH2:17][CH2:16]3)[N:12]=[C:11]([C:22]3[CH:27]=[CH:26][C:25]([NH:28][C:29]([NH:31][C:32]4[CH:37]=[CH:36][N:35]=[CH:34][CH:33]=4)=[O:30])=[CH:24][CH:23]=3)[N:10]=1)[CH2:2]2.C(O)(C(F)(F)F)=O.[CH3:45][N:46]1[CH2:51][CH2:50][NH:49][CH2:48][CH2:47]1>>[CH:5]12[O:8][CH:1]([CH2:7][CH2:6]1)[CH2:2][N:3]([C:9]1[N:14]=[C:13]([N:15]3[CH2:20][CH2:19][CH:18]([N:49]4[CH2:50][CH2:51][N:46]([CH3:45])[CH2:47][CH2:48]4)[CH2:17][CH2:16]3)[N:12]=[C:11]([C:22]3[CH:23]=[CH:24][C:25]([NH:28][C:29]([NH:31][C:32]4[CH:37]=[CH:36][N:35]=[CH:34][CH:33]=4)=[O:30])=[CH:26][CH:27]=3)[N:10]=1)[CH2:4]2

Participants

4

Reactant 3

HCID 6422Trifluoroacetic acidHCID 531671-MethylpiperazineHCID 44548798HCID 44548798, compound

Product 1

HCID 44546612HCID 44546612, compound

Procedure

By reacting 1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(4-oxopiperidin-1-yl)-1,3,5-triazin-2-yl)phenyl)-3-(pyridin-4-yl)urea.TFA (40 mg) and 1-methylpiperazine (0.050 mL) and following the procedure as outlined in example 118, the titled compound was isolated after HPLC purification as its tri-TFA salt; MS (ES+) 585.9 (M+H)+

Sources & evidence

ORD record
ord-1102775b57ad4c25ae8c0338eead3d8e
Source dataset
uspto-grants-2011_10
Patent number
US08039469B2

Reaction notes

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